CAS RN: 1273597-18-4
7-BROMO-6-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250216 | 25mg / 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1273597-18-4
- Purity/Analytical Methods: >99.0%
1273597-18-4 / 7-bromo-6-methyl-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
1273597-18-4
Multi CAS
No
Molecular Formula
C11H11BrO
Molecular Weight
239.110000
Exact Mass
237.999330
SMILES
CC1=CC2=C(C=C1Br)C(=O)CCC2
InChI
InChI=1S/C11H11BrO/c1-7-5-8-3-2-4-11(13)9(8)6-10(7)12/h5-6H,2-4H2,1H3
InChIKey
UUSZBSHFTJBFAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
56.15
TPSA
17.07
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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